1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene

C8Cl6F4 — CID 631628

IUPAC1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene
SMILESFc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C8Cl6F4/c9-7(10,11)1-3(15)5(17)2(8(12,13)14)6(18)4(1)16
InChIKeyOUCGHEXZLLSGFY-UHFFFAOYSA-N
MW384.80 g/mol
LogP5.90
Rot. Bonds

About 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene

1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene (PubChem CID 631628) has the molecular formula C8Cl6F4 and a molecular weight of 384.80 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene
PubChem CID631628
Molecular FormulaC8Cl6F4
Molecular Weight384.80 g/mol
Exact Mass381.81
IUPAC Name1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene
SMILESFc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C8Cl6F4/c9-7(10,11)1-3(15)5(17)2(8(12,13)14)6(18)4(1)16
InChIKeyOUCGHEXZLLSGFY-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.80
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene
CID 13416585
1,4-Bis(chloromethyl)-2,3,5,6-tetrafluorobenzene
CID 2756724
1-(Chloromethyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 13625335
1,2,3,4,5-Pentafluoro-6-(trichloromethyl)benzene
CID 2782621
2,3,4,5,6-Pentafluoro(chlorodifluoromethyl)benzene
CID 12696400
1,3-Bis(trichloromethyl)tetrafluorobenzene
CID 631627
1,1,2,3,4,4-Hexachlorotetrafluoro-1,4-dihydronaphthalene
CID 12696023
1-(1-Chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
CID 12701532
1-Chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene
CID 13416584
Hexafluorobenzylidene dichloride
CID 13416590
1,1,3-Trichloropentafluoroindene
CID 85851665
1-(Dichloromethyl)-2,3,4,5,6-pentafluorobenzene
CID 12701528

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene (CID 631628) is 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene is Fc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene?
The InChIKey is OUCGHEXZLLSGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl6F4/c9-7(10,11)1-3(15)5(17)2(8(12,13)14)6(18)4(1)16.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene?
1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene has a molecular weight of 384.80 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-bis(trichloromethyl)benzene is sourced from PubChem (CID 631628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).